%chk=000271656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271656

0 1
S -4.800797 -2.973747 -0.703421
O -2.226151 -0.562914 2.095347
O -0.682675 0.065369 -2.412752
N -0.048555 -0.440315 1.571995
N 0.765540 -0.078195 -0.668396
N 2.288190 -0.286267 1.168422
C -1.767744 -0.141490 -0.268319
C -2.522889 1.204167 -0.356962
C -1.671313 2.405457 0.067688
C -2.621564 -1.326643 -0.791726
C -2.459355 3.730704 -0.045614
C -1.433200 -0.395643 1.195998
C -0.537243 -0.044048 -1.221127
C -3.985745 -1.452859 -0.132903
C -2.687344 4.117966 -1.511094
C -1.708693 4.847518 0.692192
C 1.006633 -0.254845 0.618505
C -4.157042 -4.239177 0.447948
C 3.540766 -0.132884 0.472286
C -4.767561 -5.554249 0.012774
C 4.690794 -0.140667 1.292702
C 3.655205 0.009188 -0.916571
C 5.947689 -0.004851 0.704541
C 4.926553 0.144269 -1.482370
C 6.071676 0.138047 -0.682146
H -3.439683 1.154670 0.265734
H -2.869962 1.340925 -1.405014
H -1.323533 2.277047 1.110269
H -0.755045 2.472285 -0.552558
H -2.040676 -2.265075 -0.673210
H -2.746210 -1.201734 -1.894666
H -3.455827 3.596200 0.444980
H -3.919314 -1.431429 0.975028
H -4.655653 -0.616389 -0.417281
H -3.235699 3.340563 -2.054572
H -1.740511 4.273722 -2.041320
H -3.263583 5.045467 -1.593639
H -1.589932 4.620422 1.756400
H -2.246633 5.799368 0.619639
H -0.709258 5.009169 0.273271
H 0.149050 -0.607384 2.564395
H 2.367528 -0.420798 2.180397
H -3.053858 -4.267919 0.403392
H -4.440321 -3.981877 1.485201
H -5.866022 -5.537102 0.057367
H -4.489938 -5.821126 -1.016985
H -4.432989 -6.376535 0.659805
H 4.612670 -0.249430 2.371158
H 2.771738 0.018056 -1.568240
H 6.838741 -0.010025 1.332250
H 5.017149 0.255385 -2.564090
H 7.055697 0.243852 -1.133908


%chk=000271656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271656

0 1
S -4.098782 -3.034584 -0.777891
O -2.192714 0.428021 2.208624
O -0.441839 1.337837 -2.162153
N -0.046840 -0.150610 1.589857
N 0.861518 0.193307 -0.620320
N 2.156328 -0.786062 1.110780
C -1.651374 0.486841 -0.209176
C -2.679284 1.633917 -0.406103
C -2.160628 3.023889 0.025664
C -2.219733 -0.891036 -0.770124
C -3.227715 4.147355 -0.078111
C -1.353793 0.282946 1.279079
C -0.363973 0.739151 -1.057080
C -3.578467 -1.313885 -0.182143
C -3.699802 4.370635 -1.535797
C -2.671820 5.463339 0.516797
C 0.987912 -0.231125 0.625993
C -3.041445 -4.103231 0.383303
C 3.422598 -0.954566 0.467524
C -3.387322 -5.582870 0.159706
C 4.449380 -1.551930 1.248389
C 3.686023 -0.561260 -0.870141
C 5.730725 -1.754081 0.698987
C 4.977167 -0.768423 -1.402257
C 6.003353 -1.361883 -0.632498
H -3.586885 1.394441 0.178025
H -2.947146 1.647062 -1.477349
H -1.815698 2.972298 1.079084
H -1.288272 3.304457 -0.597111
H -1.472955 -1.690366 -0.596205
H -2.313910 -0.773551 -1.865700
H -4.106691 3.839141 0.528631
H -3.577008 -1.322482 0.920854
H -4.390720 -0.649541 -0.517444
H -4.201681 3.478637 -1.951854
H -2.838799 4.608132 -2.189734
H -4.414691 5.212720 -1.592906
H -2.358171 5.328568 1.569168
H -3.430114 6.267862 0.487061
H -1.790875 5.808189 -0.058626
H 0.133459 -0.308059 2.587266
H 2.128247 -1.137849 2.070853
H -1.975812 -3.909502 0.168340
H -3.265378 -3.789928 1.418546
H -4.453975 -5.777309 0.369139
H -3.179836 -5.888496 -0.881277
H -2.783262 -6.222037 0.830109
H 4.248174 -1.856435 2.284651
H 2.886409 -0.108346 -1.458609
H 6.513572 -2.215562 1.310415
H 5.176737 -0.461477 -2.434732
H 6.998913 -1.518055 -1.060704


